Information card for entry 7015189

Structure parameters

• Formula: C50 H40 Cl6 Mo O6 P2 Re
• Calculated formula: C50 H40 Cl6 Mo O6 P2 Re
• SMILES: [Re]1(Cl)(Cl)(Cl)(Cl)[O]=C2C(=[O]1)O[Mo](Cl)(Cl)(O2)(=O)=O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, crystal structure and magnetic properties of an oxalato-bridged Re(IV)Mo(VI) heterobimetallic complex.
• Authors of publication: Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Faus, Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 18
• Pages of publication: 4818 - 4820
• a: 9.6472 ± 0.0004 Å
• b: 11.744 ± 0.0005 Å
• c: 11.9908 ± 0.0005 Å
• α: 101.132 ± 0.002°
• β: 93.506 ± 0.002°
• γ: 106.257 ± 0.001°
• Cell volume: 1270.05 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No